![3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propan-1-amine](/api/spectrum/G4tmL76Yoo5/structure.png?h=300&w=458 "3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propan-1-amine")
| SpectraBase Compound ID | 4rZHqsdjZBO |
|---|---|
| InChI | InChI=1S/C14H20F3N3/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18/h1,3-4,11H,2,5-10,18H2 |
| InChIKey | DBWAVASEYCLVEP-UHFFFAOYSA-N |
| Mol Weight | 287.33 g/mol |
| Molecular Formula | C14H20F3N3 |
| Exact Mass | 287.160932 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4tmL76Yoo5 |
|---|---|
| Name | 3-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}propan-1-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.160932145 u |
| Formula | C14H20F3N3 |
| InChI | InChI=1S/C14H20F3N3/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18/h1,3-4,11H,2,5-10,18H2 |
| InChIKey | DBWAVASEYCLVEP-UHFFFAOYSA-N |
| Molecular Weight | 287.330 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC=C1)N1CCN(CC1)CCCN |